3-(2-chloranyl-5-hexadecylsulfonyl-phenyl)-2-oxidanylidene-4-sulfanyl-1H-imidazole-5-carbaldehyde

Systemtic Name: 3-(2-chloranyl-5-hexadecylsulfonyl-phenyl)-2-oxidanylidene-4-sulfanyl-1H-imidazole-5-carbaldehyde Openeye Name: 3-(2-chloro-5-hexadecylsulfonyl-phenyl)-2-oxo-4-sulfanyl-1H-imidazole-5-carbaldehyde CAS Name: 3-(2-chloro-5-hexadecylsulfonylphenyl)-4-mercapto-2-oxo-1H-imidazole-5-carboxaldehyde IUPAC Name: 3-(2-chloro-5-hexadecylsulfonylphenyl)-2-oxo-4-sulfanyl-1H-imidazole-5-carbaldehyde Traditional Name: 1-(5-cetylsulfonyl-2-chloro-phenyl)-2-keto-5-mercapto-4-imidazoline-4-carbaldehyde Formula: C26H39ClN2O4S2 MolecularWeight: 543.18186

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCS(=O)(=O)C1=CC(=C(C=C1)Cl)N2C(=C(NC2=O)C=O)S

Isomeric SMILES

CCCCCCCCCCCCCCCCS(=O)(=O)C1=CC(=C(C=C1)Cl)N2C(=C(NC2=O)C=O)S

InChI

InChI=1S/C26H39ClN2O4S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-35(32,33)21-16-17-22(27)24(19-21)29-25(34)23(20-30)28-26(29)31/h16-17,19-20,34H,2-15,18H2,1H3,(H,28,31)